ethyl 4-azanyl-2-(2-methyl-4,6-dinitro-phenyl)sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(2-methyl-4,6-dinitro-phenyl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(2-methyl-4,6-dinitro-phenyl)sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(2-methyl-4,6-dinitrophenyl)thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(2-methyl-4,6-dinitrophenyl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2-methyl-4,6-dinitro-phenyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C14H13N5O6S MolecularWeight: 379.34792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC2=C(C=C(C=C2C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SC2=C(C=C(C=C2C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O6S/c1-3-25-13(20)9-6-16-14(17-12(9)15)26-11-7(2)4-8(18(21)22)5-10(11)19(23)24/h4-6H,3H2,1-2H3,(H2,15,16,17)